N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide

C24H23N5O3 — CID 66829157

IUPACN-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide
SMILESCNC(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1
InChIInChI=1S/C24H23N5O3/c1-25-23(30)17-4-2-3-15(13-17)20-14-16(5-9-26-20)22-21-19(28-29-22)6-10-27-24(21)32-18-7-11-31-12-8-18/h2-6,9-10,13-14,18H,7-8,11-12H2,1H3,(H,25,30)(H,28,29)
InChIKeyPKMCULOMBDLTNV-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.60
Rot. Bonds5

About N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide

N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide (PubChem CID 66829157) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide
PubChem CID66829157
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide
SMILESCNC(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1
InChIInChI=1S/C24H23N5O3/c1-25-23(30)17-4-2-3-15(13-17)20-14-16(5-9-26-20)22-21-19(28-29-22)6-10-27-24(21)32-18-7-11-31-12-8-18/h2-6,9-10,13-14,18H,7-8,11-12H2,1H3,(H,25,30)(H,28,29)
InChIKeyPKMCULOMBDLTNV-UHFFFAOYSA-N
XLogP3.60
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide (CID 66829157) is N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide is CNC(=O)c1cccc(-c2cc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)ccn2)c1.
What is the InChIKey of N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide?
The InChIKey is PKMCULOMBDLTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-25-23(30)17-4-2-3-15(13-17)20-14-16(5-9-26-20)22-21-19(28-29-22)6-10-27-24(21)32-18-7-11-31-12-8-18/h2-6,9-10,13-14,18H,7-8,11-12H2,1H3,(H,25,30)(H,28,29).
What are the key properties of N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide?
N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 66829157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).